General Information of the Compound
| Compound ID |
CP0471545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2,6-di(propan-2-yl)phenyl]-6-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31F3N2O2S
|
||||||||||||||||||
| Molecular Weight |
492.607
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cc(ccc2o1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31F3N2O2S/c1-16(2)19-9-8-10-20(17(3)4)24(19)31-23(32)11-6-5-7-14-34-25-30-21-15-18(26(27,28)29)12-13-22(21)33-25/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGPPUYGJOSFLON-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound